(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (3-bromo-5-ethoxy-4-methoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (3-bromo-5-ethoxy-4-methoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C14H23BrNO3+ MolecularWeight: 333.24132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C(=C1)Br)OC)OCC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C(=C1)Br)OC)OCC

InChI

InChI=1S/C14H22BrNO3/c1-4-11(9-17)16-8-10-6-12(15)14(18-3)13(7-10)19-5-2/h6-7,11,16-17H,4-5,8-9H2,1-3H3/p+1/t11-/m1/s1